SCHEMBL2852802

SCHEMBL2852802

O=C([C@@H]1C[C@H](N2CCN(c3ccc(Cl)c4ccccc34)CC2)CN1)N1CCSC1

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.80
DPP8 Q6V1X1 1/20 0.63
DPP9 Q86TI2 1/20 0.63

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL2708293 0.88 DPP4 (0.98) DPP4
SCHEMBL2855984 0.86 DPP4 (0.70) DPP4DPP8DPP9
SCHEMBL2857099 0.86 DPP4 (0.75) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL2711650 0.85 DPP4 (0.66) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL2707149 0.84 DPP4 (0.98) DPP4
Hydrochloric Acid SCHEMBL2709783 0.83 DPP4 (0.98) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL2708846 0.81 DPP4 (0.98) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL2712069 0.81 DPP4 (0.98) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL2710374 0.81 DPP4 (0.80) DPP4DPP8DPP9
SCHEMBL2873218 0.80 DPP4 (0.75) DPP4DPP8DPP9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790725-B2 Thiazolidine derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-07 US disclosed